CAS RN: 85312-59-0
3,4-Difluoro-4′-(trans-4-propylcyclohexyl)biphenyl
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251022 | 200mg / 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong, Guangdong | 5-7 business days | Inquiry |
- Product code: SSC-193666
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
85312-59-0 / 1,2-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
Basic Information
CAS
85312-59-0
Multi CAS
Yes
Molecular Formula
C21F2H24
Molecular Weight
314.400000
Exact Mass
314.184607
InChI
InChI=1S/C21H24F2/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-20(22)21(23)14-19/h8-16H,2-7H2,1H3
InChIKey
VULXHDGYVHCLLN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
91.4
TPSA
0.0000
LogP / Solubility
WLOGP
6.71
MLOGP
5.91
XLogP3
7.6
Consensus LogP
6.74
Log S (ESOL)
-6.14
Class (ESOL)
Insoluble
Log S (Ali)
-6.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.75
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 1373116-00-7 2,3-Difluoro-4-[(trans-4-propylcyclohexyl)methoxy]anisole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4909-jpgcontextbwfzdgvyfhjvb3r8mjy1mtd8aw1hz2uvanblz3xozjivadg3lzg5mzazndc3mti1ndivrdq5mdkuanbnfgvjngq2zdbmnzm3nwm3mgmwmziznjblngm3otk1nwnlm2fizgewyjdknji2zdrhnmu2mdc5m2u1m2nlzji2y2e.jpeg)
